| SpectraBase Compound ID | 4U3hY4mFAuS |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | KTTXTHGVBRJKBU-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DKdOtMznNSA |
|---|---|
| Name | beta-Bromo-p-butylphenetole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c1-2-3-4-11-5-7-12(8-6-11)14-10-9-13/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | KTTXTHGVBRJKBU-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C=1C(=CC=C(C1)CCCC)OCCBr |
| Spectrum/Structure Validation Score (Raman) | 0.988965 |